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Binding energy is a fundamental thermodynamic property that governs molecular interactions, playing a crucial role in fields such as healthcare and the natural sciences. It is particularly relevant in drug development, vaccine design, and…

Quantum Physics · Physics 2025-08-06 Erico Souza Teixeira , Lucas Barros Fernandes , Yara Rodrigues Inácio

Quantum Machine Learning (QML) is considered to be one of the most promising applications of near term quantum devices. However, the optimization of quantum machine learning models presents numerous challenges arising from the imperfections…

Machine Learning · Computer Science 2022-05-17 Owen Lockwood

Machine learning has emerged as a promising approach to study the properties of many-body systems. Recently proposed as a tool to classify phases of matter, the approach relies on classical simulation methods$-$such as Monte Carlo$-$which…

Quantum Physics · Physics 2020-07-17 Alexey Uvarov , Andrey Kardashin , Jacob Biamonte

Quantum computing, with its potential to enhance various machine learning tasks, allows significant advancements in kernel calculation and model precision. Utilizing the one-class Support Vector Machine alongside a quantum kernel, known for…

Quantum deep learning (QDL) explores the use of both quantum and quantum-inspired resources to determine when deep learning's core capabilities, such as expressivity, generalization, and scalability, can be enhanced based on specific…

Machine learning is frequently listed among the most promising applications for quantum computing. This is in fact a curious choice: Today's machine learning algorithms are notoriously powerful in practice, but remain theoretically…

Quantum Physics · Physics 2023-02-09 Maria Schuld , Nathan Killoran

Quantum computing, leveraging quantum phenomena like superposition and entanglement, is emerging as a transformative force in computing technology, promising unparalleled computational speed and efficiency crucial for engineering…

Quantum Physics · Physics 2024-08-30 Osama Muhammad Raisuddin , Suvranu De

Parameterized quantum circuits can be used as quantum neural networks and have the potential to outperform their classical counterparts when trained for addressing learning problems. To date, much of the results on their performance on…

Quantum Physics · Physics 2023-04-13 Junyu Liu , Khadijeh Najafi , Kunal Sharma , Francesco Tacchino , Liang Jiang , Antonio Mezzacapo

The advent of quantum computing has opened new possibilities in data science, offering unique capabilities for addressing complex, data-intensive problems. Traditional machine learning algorithms often face challenges in high-dimensional or…

Quantum Physics · Physics 2025-02-13 Sanjeev Naguleswaran

The study of deep neural networks (DNNs) in the infinite-width limit, via the so-called neural tangent kernel (NTK) approach, has provided new insights into the dynamics of learning, generalization, and the impact of initialization. One key…

Machine Learning · Computer Science 2021-06-16 Sina Alemohammad , Zichao Wang , Randall Balestriero , Richard Baraniuk

Quantum computing exploits fundamentally new models of computation based on quantum mechanical properties instead of classical physics, and it is believed that quantum computers are able to dramatically improve computational power for…

The goal of generative machine learning is to model the probability distribution underlying a given data set. This probability distribution helps to characterize the generation process of the data samples. While classical generative machine…

Quantum Physics · Physics 2021-11-29 Christa Zoufal

Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio methods require self-consistent optimization of electronic…

Chemical Physics · Physics 2025-11-12 Yanxian Tao , Lingyun Wan , Xiongzhi Zeng , Yingdi Jin , Jie Liu , Zhenyu Li , Jinlong Yang

Quantum machine learning has established as an interdisciplinary field to overcome limitations of classical machine learning and neural networks. This is a field of research which can prove that quantum computers are able to solve problems…

Quantum Physics · Physics 2023-03-13 Meghashrita Das , Tirupati Bolisetti

Machine learning has achieved dramatic success over the past decade, with applications ranging from face recognition to natural language processing. Meanwhile, rapid progress has been made in the field of quantum computation including…

Quantum Physics · Physics 2022-08-17 Weikang Li , Zhide Lu , Dong-Ling Deng

Artificial neural networks are at the heart of modern deep learning algorithms. We describe how to embed and train a general neural network in a quantum annealer without introducing any classical element in training. To implement the…

Quantum Physics · Physics 2022-08-17 Steve Abel , Juan C. Criado , Michael Spannowsky

Quantum machine learning (QML) shows promise for analyzing quantum data. A notable example is the use of quantum convolutional neural networks (QCNNs), implemented as specific types of quantum circuits, to recognize phases of matter. In…

Quantum Physics · Physics 2025-01-07 Chukwudubem Umeano , Annie E. Paine , Vincent E. Elfving , Oleksandr Kyriienko

Gaussian Process Regression is a well-known machine learning technique for which several quantum algorithms have been proposed. We show here that in a wide range of scenarios these algorithms show no exponential speedup. We achieve this by…

Quantum Physics · Physics 2025-07-04 Dominic Lowe , M. S. Kim , Roberto Bondesan

In this book, we provide a comprehensive introduction to the most recent advances in the application of machine learning methods in quantum sciences. We cover the use of deep learning and kernel methods in supervised, unsupervised, and…

Quantum machine learning (QML) represents a promising frontier in the quantum technologies. In this pursuit of quantum advantage, the quantum kernel method for support vector machine has emerged as a powerful approach. Entanglement, a…

Quantum Physics · Physics 2023-11-21 Haiyan Wang
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